N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide

C16H16ClN5O — CID 19526387

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C16H16ClN5O/c1-12-6-18-21(8-12)11-16(23)20-15-7-19-22(10-15)9-13-2-4-14(17)5-3-13/h2-8,10H,9,11H2,1H3,(H,20,23)
InChIKeyHBXXZTRELQKKQU-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.73
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 19526387) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID19526387
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C16H16ClN5O/c1-12-6-18-21(8-12)11-16(23)20-15-7-19-22(10-15)9-13-2-4-14(17)5-3-13/h2-8,10H,9,11H2,1H3,(H,20,23)
InChIKeyHBXXZTRELQKKQU-UHFFFAOYSA-N
XLogP2.73
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)propanamide
CID 19534314
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526559
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19401688
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569782
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 19403930
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 19519338
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
CID 35531704
N-(3,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526409
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19407730
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474193

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide (CID 19526387) is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is HBXXZTRELQKKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-12-6-18-21(8-12)11-16(23)20-15-7-19-22(10-15)9-13-2-4-14(17)5-3-13/h2-8,10H,9,11H2,1H3,(H,20,23).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 329.79 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19526387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).